Maybe the fixed-format gro file is easier to code with in native F77, but it's difficult to prepare with other molecule building software.<br><br>I would like Gromacs to read in the structure exactly, at least as exact as g96 file. But I do not like to use g96 file because there is no atom name in it. I can not use other software to view the structure.<br>
<br>Jicun<br> <br><br><div class="gmail_quote">2012/10/1 Mark Abraham <span dir="ltr"><<a href="mailto:Mark.Abraham@anu.edu.au" target="_blank">Mark.Abraham@anu.edu.au</a>></span><br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div class="im">On 2/10/2012 8:06 AM, Jicun Li wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Hi Everyone,<br>
<br>
Would you please tell me why Gromacs do not use free format for gro file?<br>
</blockquote>
<br></div>
Probably, the format was chosen when Fortran77 was the dominant language that was going to parse it, and fixed-format is hugely easier to code with in native F77. Same for the .pdb format.<div class="im"><br>
<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
How can I modify the source code to support the free format gro file? Thank you very much.<br>
</blockquote>
<br></div>
You could do that, but what's the advantage?<span class="HOEnZb"><font color="#888888"><br>
<br>
Mark<br>
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